MolNFT v1 · #151067 · protein
Crystal structure of titin M3 domain
6HCI: “Crystal structure of titin M3 domain”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.73). MolNFT v1 #151067 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6HCI
- Type
- protein
- Length
- 389 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Titin
- EC
- 2.7.11.1
- UniProt
- Q8WZ42
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 3% helix, 64% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Titin (EC 2.7.11.1) | protein | 97 | 3% helix, 64% strand | Q8WZ42 |
| B | Titin (EC 2.7.11.1) | protein | 99 | 3% helix, 63% strand | Q8WZ42 |
| C | Titin (EC 2.7.11.1) | protein | 96 | 3% helix, 65% strand | Q8WZ42 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 536 | 0.73 | 0.81 | 46 | empty |
| 2 | 473 | 0.69 | 0.80 | 39 | empty |
| 3 | 582 | 0.62 | 0.74 | 94 | SO4 |
| 4 | 56 | 0.26 | 0.73 | 14 | empty |
Interfaces
4 interfaces between chains.
- B–C · 448 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 419 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 413 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 395 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6HCI · Crystal structure of titin M3 domain · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q8WZ42
- Elsewhere: RCSB PDB 6HCI · PDBe 6HCI · UniProt Q8WZ42
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